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Title: Materials Data on GdH(SeO4)2 by Materials Project

Abstract

GdH(SeO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.31–2.79 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.69 Å. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.78 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150more » degrees geometry to one Gd3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and one Se6+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Gd3+, one H1+, and one Se6+ atom.« less

Publication Date:
Other Number(s):
mp-1203437
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; GdH(SeO4)2; Gd-H-O-Se
OSTI Identifier:
1684252
DOI:
https://doi.org/10.17188/1684252

Citation Formats

The Materials Project. Materials Data on GdH(SeO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684252.
The Materials Project. Materials Data on GdH(SeO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1684252
The Materials Project. 2020. "Materials Data on GdH(SeO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1684252. https://www.osti.gov/servlets/purl/1684252. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1684252,
title = {Materials Data on GdH(SeO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {GdH(SeO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.31–2.79 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.69 Å. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.78 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and one Se6+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Gd3+, one H1+, and one Se6+ atom.},
doi = {10.17188/1684252},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}